4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole

In the title compound, C(20)H(22)N(2)O(3)S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the mol­ecule as the oxazoline ring but is orientat...

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Autores principales: Caracelli, Ignez, Zukerman-Schpector, Julio, Villar, José A. F. P., Oliveira, Alfredo R. M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344158/
https://www.ncbi.nlm.nih.gov/pubmed/22606161
http://dx.doi.org/10.1107/S1600536812012512
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author Caracelli, Ignez
Zukerman-Schpector, Julio
Villar, José A. F. P.
Oliveira, Alfredo R. M.
Tiekink, Edward R. T.
author_facet Caracelli, Ignez
Zukerman-Schpector, Julio
Villar, José A. F. P.
Oliveira, Alfredo R. M.
Tiekink, Edward R. T.
author_sort Caracelli, Ignez
collection PubMed
description In the title compound, C(20)H(22)N(2)O(3)S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the mol­ecule as the oxazoline ring but is orientated so as not to inter­act with the ring. Linear supra­molecular chains along [010] are formed via C—H⋯O and C—H⋯S contacts. Chains are consolidated into a three-dimensional architecture by C—H⋯π and van der Waals inter­actions.
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spelling pubmed-33441582012-05-17 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole Caracelli, Ignez Zukerman-Schpector, Julio Villar, José A. F. P. Oliveira, Alfredo R. M. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(22)N(2)O(3)S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the mol­ecule as the oxazoline ring but is orientated so as not to inter­act with the ring. Linear supra­molecular chains along [010] are formed via C—H⋯O and C—H⋯S contacts. Chains are consolidated into a three-dimensional architecture by C—H⋯π and van der Waals inter­actions. International Union of Crystallography 2012-03-31 /pmc/articles/PMC3344158/ /pubmed/22606161 http://dx.doi.org/10.1107/S1600536812012512 Text en © Caracelli et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Caracelli, Ignez
Zukerman-Schpector, Julio
Villar, José A. F. P.
Oliveira, Alfredo R. M.
Tiekink, Edward R. T.
4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title_full 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title_fullStr 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title_full_unstemmed 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title_short 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
title_sort 4,4-dimethyl-2-[3-nitro-2-phenyl-1-(phenyl­sulfan­yl)prop­yl]-4,5-dihydro-1,3-oxazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344158/
https://www.ncbi.nlm.nih.gov/pubmed/22606161
http://dx.doi.org/10.1107/S1600536812012512
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